Hi Peter,
my estimate of the distance between the peaks would be based on bond distances
and about twice that of Dale, but I agree with his general conclusion. Either a
reflection (roughly in the h 0 0 direction) is stronger than it should be
(ice?), or a very strong reflection was considered
that should have been
sort -gk5 XDS_ASCII.HKL | more
(I should have tested before posting!)
best,
Kay
On Tue, 25 Jun 2013 09:16:52 +0100, Kay Diederichs
kay.diederi...@uni-konstanz.de wrote:
...
b) inspect the outliers in XDS_ASCII.HKL with something like
sort -nk5 XDS_ASCII.HKL | more
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Hello Peter,
have you tried removing a few residues involved and (after a round of
refinement) rebuild the area from scratch (a simple way to remove
model bias)?
How did you decide about the resolution cut-off of your data sets -
could it be that
Based on eye-balling your map it looks to me that your grid spacing
is about 0.5 A. The wavelength of your ripple is 4 grid spacings, and
the ripple is right along the x axis. My guess is that you have a rogue
reflection with index of h00 where h is about 2 A resolution.
How you are
Hi Tim,
A side note: you are most likely not looking at 2Fo-Fc and Fo-Fc maps,
but a sigma-A weighted maps and sigma-A weighted difference maps. I
think it is worth differentiating between these terms.
Fully agree. I guess just typing them as 2mFo-DFc and mFo-DFc will solve
this particular
